3-(cyclopropylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]propane-1-sulfonamide

C12H25N3O2S — CID 106062793

IUPAC3-(cyclopropylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]propane-1-sulfonamide
SMILESCN(CCNS(=O)(=O)CCCNC1CC1)C1CC1
InChIInChI=1S/C12H25N3O2S/c1-15(12-5-6-12)9-8-14-18(16,17)10-2-7-13-11-3-4-11/h11-14H,2-10H2,1H3
InChIKeyBHPTXGNEKZUNPX-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.14
Rot. Bonds10

About 3-(cyclopropylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]propane-1-sulfonamide

3-(cyclopropylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]propane-1-sulfonamide (PubChem CID 106062793) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]propane-1-sulfonamide
PubChem CID106062793
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name3-(cyclopropylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]propane-1-sulfonamide
SMILESCN(CCNS(=O)(=O)CCCNC1CC1)C1CC1
InChIInChI=1S/C12H25N3O2S/c1-15(12-5-6-12)9-8-14-18(16,17)10-2-7-13-11-3-4-11/h11-14H,2-10H2,1H3
InChIKeyBHPTXGNEKZUNPX-UHFFFAOYSA-N
XLogP0.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 55142009
3-(cyclopropylamino)-N-[2-(diethylamino)ethyl]propane-1-sulfonamide
CID 114139088
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide
CID 79578945
4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide
CID 106055704
4-(cyclopropylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]butane-1-sulfonamide
CID 106095136
N-[2-[cyclopentyl(methyl)amino]ethyl]ethanesulfonamide
CID 63373682
4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide
CID 114142377
3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide
CID 106032168
1-N-ethyl-4-N-methyl-4-N-(3-methylsulfonylpropyl)cyclohexane-1,4-diamine
CID 79123111
4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide
CID 106054130
N-cyclopropyl-N'-(4-ethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 61449433
4-(cyclopropylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide
CID 106057650

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]propane-1-sulfonamide?
The IUPAC name of 3-(cyclopropylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]propane-1-sulfonamide (CID 106062793) is 3-(cyclopropylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]propane-1-sulfonamide is CN(CCNS(=O)(=O)CCCNC1CC1)C1CC1.
What is the InChIKey of 3-(cyclopropylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]propane-1-sulfonamide?
The InChIKey is BHPTXGNEKZUNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-15(12-5-6-12)9-8-14-18(16,17)10-2-7-13-11-3-4-11/h11-14H,2-10H2,1H3.
What are the key properties of 3-(cyclopropylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]propane-1-sulfonamide?
3-(cyclopropylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]propane-1-sulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.14, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 106062793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).